2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one

C13H16ClNO2 — CID 86244846

IUPAC2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-10(11-2-4-12(14)5-3-11)13(16)15-6-8-17-9-7-15/h2-5,10H,6-9H2,1H3
InChIKeyNEGZJQQJRGYJPR-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.30
Rot. Bonds2

About 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one

2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 86244846) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID86244846
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-10(11-2-4-12(14)5-3-11)13(16)15-6-8-17-9-7-15/h2-5,10H,6-9H2,1H3
InChIKeyNEGZJQQJRGYJPR-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-1-(morpholin-4-yl)-2-phenylethan-1-one
CID 4962514
4-[(2,6-Dimethylphenyl)acetyl]morpholine
CID 839325
2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
CID 1124089
1-[4-(4-Chlorobenzoyl)piperidin-1-yl]ethanone
CID 544682
2-(2-Chlorophenyl)-1-morpholin-4-ylethanone
CID 1245975
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
Cb-813
CID 208688
2-(3,4-Dichlorophenyl)-1-morpholino-1-ethanone
CID 1485657
4-[3-(4-Chlorophenyl)-4-methylpentyl]morpholine
CID 17583223
1-Morpholino-2,2-diphenylethanone
CID 229280
1-(4-Chlorophenyl)-3-morpholin-4-ylpropan-1-one
CID 723918
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one (CID 86244846) is 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is NEGZJQQJRGYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-10(11-2-4-12(14)5-3-11)13(16)15-6-8-17-9-7-15/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one?
2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 253.73 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 86244846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).